2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 2-(3,5-dimethylisoxazol-4-yl)ethyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 2-(3,5-dimethyl-4-isoxazolyl)ethyl ester IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 2-(3,5-dimethylisoxazol-4-yl)ethyl ester Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN2O3/c1-14-18(15(2)29-26-14)11-12-28-23(27)20-13-22(16-7-9-17(24)10-8-16)25-21-6-4-3-5-19(20)21/h3-10,13H,11-12H2,1-2H3